Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 4/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29400234 | 0.89 | VNN1 (0.40) | EGFRAURKARPS6KB1AURKBP2RX3 | |
| SCHEMBL19640698 | 0.89 | VNN1 (0.40) | EGFRAURKARPS6KB1AURKBP2RX3 | |
| SCHEMBL19650898 | 0.89 | AURKA (0.39) | EGFRAURKARPS6KB1AURKBRORC | |
| SCHEMBL19640533 | 0.87 | AURKA (0.42) | EGFRAURKARPS6KB1AURKBRORC | |
| SCHEMBL29401701 | 0.87 | AURKA (0.42) | EGFRAURKARPS6KB1AURKBRORC | |
| SCHEMBL19640684 | 0.86 | AURKA (0.38) | EGFRAURKARPS6KB1AURKBP2RX3 | |
| SCHEMBL29399848 | 0.86 | AURKA (0.38) | EGFRAURKARPS6KB1AURKBP2RX3 | |
| SCHEMBL19640660 | 0.86 | CYP3A4 (0.43) | EGFRLMNAMEN1KMT2AMAPK1 | |
| SCHEMBL19640436 | 0.85 | PTK2 (0.38) | EGFRAURKARPS6KB1AURKBLMNA | |
| SCHEMBL19640464 | 0.84 | EGFR (0.41) | EGFRAURKARPS6KB1AURKBLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |